SCHEMBL5523971

SCHEMBL5523971

COc1ccc(CC2(C(N)=O)CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 1/20 0.46
MMP1 P03956 2/20 0.45
ITGB1 P05556 2/20 0.44
ITGA4 P13612 2/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
EPHX2 P34913 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
PARP1 P09874 1/20 0.42
PARP10 Q53GL7 1/20 0.42
PARP2 Q9UGN5 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28009767 0.92 ALDH1A1 (0.49) ALDH1A1KMT2ASMN1; SMN2LMNAPOLB
SCHEMBL6627416 0.86 ITGB1 (0.47) ALDH1A1KMT2AMMP1ITGB1ITGA4
SCHEMBL8586015 0.85 ALDH1A1 (0.52) ALDH1A1KMT2AMMP1ITGB1ITGA4
SCHEMBL6626906 0.84 ALDH1A1 (0.48) ALDH1A1KMT2AMMP1ITGB1ITGA4
SCHEMBL18759154 0.84 ITGB1 (0.46) ALDH1A1KMT2AMMP1ITGB1ITGA4
SCHEMBL5530347 0.83 MEN1 (0.50) KMT2AITGB1ITGA4MAPTNPC1
SCHEMBL4886593 0.83 ITGB1 (0.51) ALDH1A1KMT2AMMP1ITGB1ITGA4
SCHEMBL5520748 0.81 CYP3A4 (0.47) LMNAEPHX2CYP3A4CYP2C19
SCHEMBL4600032 0.81 EPHX1 (0.41) ALDH1A1TSHRCYP3A4
SCHEMBL6627953 0.79 ALDH1A1 (0.70) ALDH1A1KMT2AMAPTLMNAPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 ALDH1A1 2069/4885KMT2A 792/4885MMP1 4706/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.